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hr_export: write wannier90_hr.dat from a SlaKoNet Hamiltonian Python package #100: Commit 324ca3d pushed by knc6
4m 1s develop
develop
4m 1s
slakonetdb: run any jarvis-tools dataset, not just dft_3d Python package #99: Commit bb4f510 pushed by knc6
10m 54s develop
develop
10m 54s
slakonetdb: add --ehull-max so the full database can be run, not just… Python package #98: Commit c1c3461 pushed by knc6
14m 21s develop
develop
14m 21s
Add SlaKoNetDB: Hamiltonian/overlap database records Python package #97: Commit 062e954 pushed by knc6
14m 10s develop
develop
14m 10s
Merge fermi-gap-midgap: place E_F mid-gap instead of on the conductio… Python package #96: Commit 649d565 pushed by knc6
11m 21s develop
develop
11m 21s
Support explicit klines in SlaKoNetCalculator Python package #95: Commit be5182f pushed by knc6
14m 8s develop
develop
14m 8s
Merge pull request #12 from atomgptlab/negf-transport Python package #94: Commit 475ca1a pushed by knc6
12m 45s develop
develop
12m 45s
Add electron-phonon coupling and superconducting Tc Python package #93: Commit 4d51e60 pushed by knc6
14m 47s develop
develop
14m 47s
Make default_mu model-specific; add v1a calibration Python package #92: Commit 454e394 pushed by knc6
13m 47s develop
develop
13m 47s
Fix NumPy 2 scalar conversion in predict/analysis Python package #91: Commit ea2e45e pushed by knc6
16m 35s develop
develop
16m 35s
Merge pull request #11 from atomgptlab/develop Python package #90: Commit 6455957 pushed by knc6
14m 30s main
main
14m 30s
Develop Python package #89: Pull request #11 opened by knc6
13m 49s develop
develop
13m 49s
Make the Colab link a clickable badge Python package #88: Commit 8b387a5 pushed by knc6
14m 33s develop
develop
14m 33s
Trim README, add scaling table, apply black -l 79 Python package #87: Commit 207fbeb pushed by knc6
14m 30s develop
develop
14m 30s
Add ASE calculator tests; fix broken README example Python package #86: Commit 43a45ac pushed by knc6
14m 42s develop
develop
14m 42s
Add get_bandstructure, get_dos and get_HS to both ASE calculators Python package #85: Commit 52daf79 pushed by knc6
12m 47s develop
develop
12m 47s
Default to slakonet_v1a Python package #84: Commit 045913c pushed by knc6
13m 15s develop
develop
13m 15s
Add kspacing option to SlakoNetCalculator for per-structure k-meshes Python package #83: Commit edaf3f1 pushed by knc6
19m 5s develop
develop
19m 5s
Version update Python package #82: Commit 7dd0992 pushed by knc6
15m 5s develop
develop
15m 5s
Stop setting global torch debug flags on import; ~6x faster forces Python package #81: Commit 3d7e084 pushed by knc6
17m 36s develop
develop
17m 36s
Faster implementation Python package #80: Commit 14909c9 pushed by knc6
20m 21s develop
develop
20m 21s
Add slakonet_v1a parameter set; fix ASE forces, stress and total energy Python package #79: Commit 1cdfbd8 pushed by knc6
18m 59s develop
develop
18m 59s
mag Python package #78: Commit 53d167c pushed by knc6
17m 42s develop
develop
17m 42s
Merge pull request #9 from atomgptlab/develop Python package #77: Commit 2c6044c pushed by knc6
18m 34s main
main
18m 34s
Update README.md Python package #76: Pull request #9 opened by knc6
17m 21s develop
develop
17m 21s